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Merge pull request #38159 from mantidproject/37905_update_spec_wkflw
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Update indirect diffraction algorithms workflow diagrams
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@SilkeSchomann
SilkeSchomann authored Nov 28, 2024
2 parents c577f4a + 3742def commit b3a6afc
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76 changes: 61 additions & 15 deletions docs/source/diagrams/ISISIndirectDiffractionReduction-v1_wkflw.dot
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Original file line number Diff line number Diff line change
Expand Up @@ -6,11 +6,19 @@ digraph ISISIndirectDiffractionReduction {
$decision_style
need_to_unwrap [label="Need To Unwrap Monitor?"]
is_multi_frame [label="Is Multiple Frames?"]
has_calib_file [label="Using Calibration File?"]
has_container [label="Subtract Container?"]
has_container2 [label="Subtract Container?"]
has_mask [label="Has mask detector?"]
has_van [label="Scale Vanadium?"]
}

subgraph params {
$param_style
InputFiles
VanadiumFiles
ContainerFiles
ContainerScaleFactor
SumFiles
CalibrationFile
Instrument
Expand All @@ -19,18 +27,30 @@ digraph ISISIndirectDiffractionReduction {
RebinParam
GroupingMethod
OutputWorkspace
GroupingString
GroupingFile
GroupingWorkspace
NGroups
SpectraRange [label="SpectraRange"]
}

subgraph algorithms {
$algorithm_style
ConvertUnits_unwrap_monitor [label="ConvertUnits"]
ConvertUnits_dSpacing [label="ConvertUnits"]
GroupWorkspaces
ApplyDiffCal
ApplyDiffCal1 [label="ApplyDiffCal"]
ConvertUnits_calib [label="ConvertUnits"]
Rebin
Minus
}

subgraph processes {
$process_style
load_files [label="load_files\nLoads run files and instrument parameters.\nChops data into multiple frames if required.\nSumms runs if required."]
load_files [label="load_files\nLoads run files and instrument parameters.\nChops data into multiple frames if required.\nSums runs if required."]
load_and_scale_container [label="load_and_scale_container\nLoads container files and scale them\nusing the ContainerScaleFactor if provided."]
load_and_calibrate_vanadium [label="load_and_calibrate_vanadium\nLoads vanadium files and calibrate them\nusing the CalibrationFile if provided."]
get_multi_frame_rebin [label="get_multi_frame_rebin\nGets a rebin string for rebinning\nmultiple frames."]
identify_bad_detectors [label="identify_bad_detectors\nGets a list of noisy detectors using\nthe IdentifyNoisyDetectors algorithm."]
unwrap_monitor [label="unwrap_monitor\nUnwraps monitor based on IPF options\nusing UnwrapMonitor algorithm."]
Expand All @@ -41,6 +61,9 @@ digraph ISISIndirectDiffractionReduction {
group_spectra [label="group_spectra\nGroups spectra based\non the GroupingMethod."]
fold_chopped [label="fold_chopped\nFolds multiple frames into\na single reduction."]
rename_reduction [label="rename_reduction\nRenames reduced workspaces\nas per the IPF options."]
rebin_and_subtract [label="rebin_and_subtract\nRebin the workspace with bigger blocksize \nto match the one with smaller blocksize\nThen subtract the container spectra from the vandium spectra."]
rebin_and_divide [label="rebin_and_divide\nRebin the workspace with bigger blocksize \nto match the one with smaller blocksize\nThen divide the runs spectra by the vanadium spectra."]
mask_detector [label="mask_detector\nMask noisy detectors."]
}

subgraph values {
Expand All @@ -52,11 +75,7 @@ digraph ISISIndirectDiffractionReduction {
unit_unwrap_monitor [label="Wavelength"]
e_mode [label="Elastic"]
dspacing_unit [label="dSpacing"]
}

subgraph decision {
$decision_style
has_calib_file [label="Using Calibration File"]
clear_calib [label="True"]
}

InputFiles -> load_files
Expand All @@ -65,18 +84,38 @@ digraph ISISIndirectDiffractionReduction {
Mode -> load_files
SumFiles -> load_files
load_files -> has_calib_file
has_calib_file -> AlignDetectors [label="Yes"]
CalibrationFile -> AlignDetectors
AlignDetectors -> DiffractionFocussing
CalibrationFile -> DiffractionFocussing
DiffractionFocussing -> get_multi_frame_rebin
has_calib_file -> get_multi_frame_rebin [label="No"]
has_calib_file -> ApplyDiffCal [label="Yes"]
CalibrationFile -> ApplyDiffCal
ApplyDiffCal -> ConvertUnits_calib
dspacing_unit -> ConvertUnits_calib [label="Target"]
e_mode -> ConvertUnits_calib [label="EMode"]
ConvertUnits_calib -> ApplyDiffCal1
clear_calib -> ApplyDiffCal1 [label="ClearCalibration"]
ApplyDiffCal1 -> Rebin
CalibrationFile -> Rebin
Rebin -> get_multi_frame_rebin
has_calib_file -> get_multi_frame_rebin [label="No"]
RebinParam -> get_multi_frame_rebin
get_multi_frame_rebin -> multi_frame_rebin_string
get_multi_frame_rebin -> multi_frame_num_bins
load_files -> identify_bad_detectors
identify_bad_detectors -> masked_detectors
load_files -> need_to_unwrap
load_files -> has_container
has_container -> Minus [label="Yes"]
ContainerFiles -> load_and_scale_container
ContainerScaleFactor -> load_and_scale_container
load_and_scale_container -> Minus
Minus -> has_van
has_container -> has_van [label="No"]
has_van -> rebin_and_divide [label="Yes"]
VanadiumFiles -> load_and_calibrate_vanadium
load_and_calibrate_vanadium -> has_container2
has_container2 -> rebin_and_subtract [label="Yes"]
load_and_scale_container -> rebin_and_subtract
rebin_and_subtract -> rebin_and_divide
has_container2 -> rebin_and_divide [label="No"]
rebin_and_divide -> need_to_unwrap
has_van -> need_to_unwrap [label="No"]
need_to_unwrap -> unwrap_monitor [label="Yes"]
unwrap_monitor -> ConvertUnits_unwrap_monitor
unit_unwrap_monitor -> ConvertUnits_unwrap_monitor [label="Target"]
Expand All @@ -88,13 +127,20 @@ digraph ISISIndirectDiffractionReduction {
scale_detectors -> ConvertUnits_dSpacing
dspacing_unit -> ConvertUnits_dSpacing [label="Target"]
e_mode -> ConvertUnits_dSpacing [label="EMode"]
ConvertUnits_dSpacing -> rebin_reduction
ConvertUnits_dSpacing -> has_mask
has_mask -> mask_detector [label="Yes"]
masked_detectors -> mask_detector
mask_detector -> rebin_reduction
has_mask -> rebin_reduction [label="No"]
RebinParam -> rebin_reduction
multi_frame_rebin_string -> rebin_reduction
multi_frame_num_bins -> rebin_reduction
rebin_reduction -> group_spectra
GroupingMethod -> group_spectra
masked_detectors -> group_spectra
GroupingString -> group_spectra
GroupingFile -> group_spectra
GroupingWorkspace -> group_spectra
NGroups -> group_spectra
group_spectra -> is_multi_frame
is_multi_frame -> fold_chopped [label="Yes"]
fold_chopped -> rename_reduction
Expand Down
90 changes: 59 additions & 31 deletions docs/source/diagrams/OSIRISDiffractionReduction-v1_wkflw.dot
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Original file line number Diff line number Diff line change
Expand Up @@ -8,33 +8,33 @@ digraph OSIRISDiffractionReduction {
OutputWorkspace
SampleRuns
VanadiumRuns
VanadiumWorkspaces
SampleWorkspaces
SampleWorkspaces1 [label="SampleWorkspaces"]
SampleWorkspace
ContainerFiles
ContainerWorkspaces
ContainerScaleFactor
SampleWorkspaceMap
SampleWorkspaceMap1 [label="SampleWorkspaceMap"]
SampleWorkspaceMap2 [label="SampleWorkspaceMap"]
SampleWorkspaceMap3 [label="SampleWorkspaceMap"]
VanadiumWorkspaceMap
SpecMin
SpecMin1 [label="SpecMin"]
SpecMin2 [label="SpecMin"]
SpecMax
SpecMax1 [label="SpecMax"]
SpecMax2 [label="SpecMax"]
GroupingMethod
GroupingString
GroupingFile
NGroups
}

subgraph algorithms {
$algorithm_style
Load
Load1 [label="Load"]
Scale
Rebin
Rebin1 [label="Rebin"]
Minus
NormaliseByCurrent
AlignDetectors
DiffractionFocussing
ApplyDiffCal
ApplyDiffCal1 [label="ApplyDiffCal"]
ConvertUnits
CropWorkspace
Divide
ReplaceSpecialValues
Expand All @@ -55,16 +55,31 @@ digraph OSIRISDiffractionReduction {
averageWorkspaces [label="Average together any workspaces that have the same DRange"]
getIntersection [label="Create scalar data for where merge has combined overlapping data."]
appendResults [label="Add the scalar data to the result workspace."]
group_spectra [label="group_spectra\nGroups spectra based\non the GroupingMethod."]
}

subgraph values {
SampleWorkspaceMap
SampleWorkspaceMap1 [label="SampleWorkspaceMap"]
SampleWorkspaceMap2 [label="SampleWorkspaceMap"]
SampleWorkspaceMap3 [label="SampleWorkspaceMap"]
SampleWorkspaceMap4 [label="SampleWorkspaceMap"]
SampleWorkspaceMap5 [label="SampleWorkspaceMap"]
VanadiumWorkspaceMap
VanadiumWorkspaceMap1 [label="VanadiumWorkspaceMap"]
SampleWorkspace
e_mode [label="Elastic"]
dspacing_unit [label="dSpacing"]
clear_calib [label="True"]
}

SampleRuns -> Load
VanadiumRuns -> Load
SpecMin -> Load
SpecMax -> Load
Load -> VanadiumWorkspaces
Load -> SampleWorkspaces
SampleWorkspaces -> useContainer
Load -> VanadiumWorkspaceMap
Load -> SampleWorkspaceMap
SampleWorkspaceMap -> useContainer
useContainer -> ContainerFiles [label="Yes"]
ContainerFiles -> Load1
SpecMin1 -> Load1
Expand All @@ -74,37 +89,50 @@ digraph OSIRISDiffractionReduction {
ContainerScaleFactor -> Scale
Scale -> ContainerWorkspaces
scaleContainer -> ContainerWorkspaces [label="No"]
ContainerWorkspaces -> Minus
SampleWorkspaces1 -> Minus
Minus -> SampleWorkspaceMap
useContainer -> SampleWorkspaceMap [label="No: Add SampleWorkspaces to WorkspaceMap"]
VanadiumWorkspaces -> VanadiumWorkspaceMap
ContainerWorkspaces -> Rebin
SampleWorkspaceMap1 -> Rebin
Rebin -> Minus
SampleWorkspaceMap1 -> Minus
Minus -> SampleWorkspaceMap2
useContainer -> SampleWorkspaceMap2 [label="No"]
VanadiumWorkspaceMap -> averageWorkspaces
SampleWorkspaceMap -> averageWorkspaces
SampleWorkspaceMap2 -> averageWorkspaces
averageWorkspaces -> CurrentWorkspace [label="Extract next workspace from either the vanadium or sample map"]
CurrentWorkspace -> NormaliseByCurrent
NormaliseByCurrent -> AlignDetectors
CalibrationFile -> AlignDetectors
AlignDetectors -> DiffractionFocussing
CalibrationFile -> DiffractionFocussing
DiffractionFocussing -> CropWorkspace
CropWorkspace -> SampleWorkspaceMap1
SampleWorkspaceMap1 -> dRange [label="Extract dRange from map"]
dRange -> SampleWorkspaceMap2
NormaliseByCurrent -> ApplyDiffCal
CalibrationFile -> ApplyDiffCal
ApplyDiffCal -> ConvertUnits
dspacing_unit -> ConvertUnits [label="Target"]
e_mode -> ConvertUnits [label="EMode"]
ConvertUnits -> ApplyDiffCal1
clear_calib -> ApplyDiffCal1 [label="ClearCalibration"]
ApplyDiffCal1 -> Rebin1
CalibrationFile -> Rebin1
Rebin1 -> group_spectra
GroupingMethod -> group_spectra
GroupingString -> group_spectra
GroupingFile -> group_spectra
NGroups -> group_spectra
SpecMin2 -> group_spectra
SpecMax2 -> group_spectra
group_spectra -> CropWorkspace
CropWorkspace -> SampleWorkspaceMap3
SampleWorkspaceMap3 -> dRange [label="Extract dRange from map"]
dRange -> SampleWorkspaceMap4
dRange -> VanadiumWorkspaceMap1
SampleWorkspaceMap2 -> SampleWorkspace
SampleWorkspaceMap4 -> SampleWorkspace
VanadiumWorkspaceMap1 -> VanadiumWorkspace
SampleWorkspace -> Divide
VanadiumWorkspace -> Divide
Divide -> ReplaceSpecialValues
ReplaceSpecialValues -> processedWks
processedWks -> SampleWorkspaceMap2 [label="No"]
processedWks -> SampleWorkspaceMap4 [label="No"]
processedWks -> runNumbers [label="Yes"]
runNumbers -> MergeRuns [label="More than 1"]
runNumbers -> RenameWorkspace [label="Less than 1"]
MergeRuns -> ResultWorkspace
RenameWorkspace -> ResultWorkspace
SampleWorkspaceMap3 -> getIntersection
SampleWorkspaceMap5 -> getIntersection
getIntersection -> appendResults
ResultWorkspace -> appendResults
appendResults -> OutputWorkspace
Expand Down

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